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Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206

April 2021 issue

Highlighted illustration

Cover illustration: A selection of images for different structure types discussed in this issue. Clockwise from top left: general views of the monoclinic 2M-polytype of lamprophyllite-type structure (see Aksenov et al., pp. 287-298); magnetic structure in monoclinic Er3Cu4Sn4 (see Baran et al., pp. 219-224); relationship between the unit-cell volume and the AlO4 rotation angle ([varphi]) in the I43m phase of Sr8[Al12O24](SO4)2 (SAS) and Ca8[Al12O24](SO4)2 (see Nakahira et al., pp. 186-192); the superprotonic conductor Cs6(SO4)3(H3PO4)4 at 290 K (see Makarova et al., pp. 266-274); neutron structure factors and reverse Monte Carlo calculated structure factors of LiTeO and VLiTeO glasses (see Hirdesh et al., pp. 275-286).

research papers


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Synchrotron radiation powder diffraction measurements and probability density function analyses of aluminate sodalite-type oxides Sr8[Al12O24](SO4)2 and Ca8[Al12O24](SO4)2 of the cubic phases were performed. The rotation of AlO4 in a tetrahedral framework was discussed.

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The structure-directing effects of four O,O′-donor hy­droxy­pyri­dine­carboxyl­ate derivatives in their com­plexation with ZnII have been investigated by single-crystal X-ray diffraction. One octahedral and two trigonal bipyramidal mononuclear com­plexes, as well as a pyridino­late-bridged dinuclear complex with octahedral geometry, were detected.

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Anisotropic com­pression of a high-density xylitol polymorph is inversely proportional to the molecular dimensions.

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The crystal structures of two polymorphs of a phenazine hexa­cyano­ferrate salt/cocrystal are presented. The polymorphs are remarkably similar, both comprising two-dimensional hydrogen-bonded networks built from the same supramolecular units.

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The magnetic structure in monoclinic Er3Cu4Sn4 was determined using high-resolution powder neutron diffraction, supported by symmetry analysis. The Er magnetic moments occupying different Wyckoff sites (2c and 4i) are found to order antiferromagnetically at different temperatures.

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Precise analysis of the structure and phase transitions of an aluminium aqua complex salt is presented.

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Microporous sodium aluminophosphate, Na6[Al3P5O20], with a new type of structure, is described as being built of octahedral rods arranged in two perpendicular directions.

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A new type of structure disorder has been found in the π-coordination compound and local structure modelling based on X-ray diffuse scattering data was performed.

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A cuminaldehyde derivative hydrazone crystallized in a noncentrosymmetric space with high transparent nature. The SHG efficiency of this specimen was determined as I = 96 mV, confirming its nonlinear optical character.

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The structure of h-BN (generally considered to have an AA stacking sequence) has been reinterpreted as AB stacking, based on the classical theory of crystal growth. A growth mechanism is proposed for commercial h-BN platelets as `pressure-induced 2D growth' and for h-BN sheets on a substrate (in CVD or PVD approaches) as `substrate-induced 2D growth.

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Single crystals of Cs6(SO4)3(H3PO4)4 were studied by neutron diffraction methods, optical polarization microscopy, scanning electron microscopy and energy-dispersive X-ray spectroscopy. The crystal structure, including hydrogen-bond networks, and transformations with changes in temperature are reported in com­parison with Cs com­pounds having relatively similar com­positions.


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Specific features of the crystal chemistry of lamprophyllite-related minerals are discussed, using the available literature data and the results of the single-crystal X-ray diffraction and Raman spectroscopic studies of several samples from the Murun alkaline complex (Russia) and Rocky Boy and Gordon Butte pegmatites (USA) presented here.

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The intermediate N(CH3)2-BH2 aggregates either to dimers or trimers. Herein, the stability of the adducts is investigated experimentally and computationally, and the monoclinic crystal structure of [N(CH3)2-BH2]2 is provided.
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